SCHEMBL486586

SCHEMBL486586

CC1(C)CC(=O)C=C(Nc2ccc(Cl)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.67
KDM4E B2RXH2 1/20 0.67
TSHR P16473 3/20 0.64
POLB P06746 1/20 0.63
HSD17B10 Q99714 1/20 0.63
RECQL P46063 1/20 0.56
GAA P10253 1/20 0.56
MT-CO2 P00403 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28366142 0.84 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL28366172 0.84 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL28362474 0.84 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL486145 0.84 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL486053 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL486421 0.82 KMT2A (0.67) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL486240 0.81 RECQL (0.74) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL28362330 0.80 L3MBTL1 (1.00) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL28366141 0.78 TSHR (0.64) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL11747295 0.76 KMT2A (0.71) ALDH1A1KMT2AMEN1L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145884-B1 INDOLEDIONE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8106086-B2 Indoledione derivative MSD K.K. (JP) 2012-01-31 US disclosed
US-20100056597-A1 INDOLEDIONE DERIVATIVE MSD K.K. (JP) 2010-03-04 US disclosed
EP-2145884-A1 INDOLEDIONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-01-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056597-A1 INDOLEDIONE DERIVATIVE LIPE, IDO1, ADRA1A ALDH1A1 303/4885KMT2A 776/4885MEN1 2086/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.